2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine

C14H18N2O2 — CID 96662742

IUPAC2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCCOc1ccc(-c2cc(CCN)no2)cc1C
InChIInChI=1S/C14H18N2O2/c1-3-17-13-5-4-11(8-10(13)2)14-9-12(6-7-15)16-18-14/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyFSMPVRGQDWZFNZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.55
Rot. Bonds5

About 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine

2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 96662742) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID96662742
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCCOc1ccc(-c2cc(CCN)no2)cc1C
InChIInChI=1S/C14H18N2O2/c1-3-17-13-5-4-11(8-10(13)2)14-9-12(6-7-15)16-18-14/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyFSMPVRGQDWZFNZ-UHFFFAOYSA-N
XLogP2.55
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
2-[5-(4-propoxyphenyl)-1,2-oxazol-3-yl]ethanamine
CID 95732607
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-[4-(4-ethoxy-3-methylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 96668570
2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 82477361
2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
[4-(4-ethoxy-3-methylphenyl)-1H-imidazol-5-yl]methanamine
CID 82289248
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
2-[2-(4-ethoxy-3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 116852096
[5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-yl]methanol
CID 82048699
2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 96669709

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine (CID 96662742) is 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine is CCOc1ccc(-c2cc(CCN)no2)cc1C.
What is the InChIKey of 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is FSMPVRGQDWZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-17-13-5-4-11(8-10(13)2)14-9-12(6-7-15)16-18-14/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine?
2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxy-3-methylphenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 96662742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).